Geometry & MOs

Info

ID:

186372

PubChem CID:

77425547

Reduced:

FN3O3C36H42 (1)

Stoich.:

AB3C3D36E42 (1)

Weight, g/mol:

585.23699

ΔHf, kcal/mol:

-154.33

Dipole, Da:

4.81

IP(EA), eV:

 -8.2(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-chlorobenzoyl)-2-[4-(cyclopentylamino)cyclohexa-2,4-dien-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC=CC(=C5)C6(CCCC6)O

DOS

IR

Vibrations